Basic information
- CAS
50372-61-7- Standard SMILES
O=C(c1ccccc1)c1cc(Br)c(Br)[nH]1- InChIKey
ZTJSJDHXCJVYCI-UHFFFAOYSA-N- Molecular formula
- C11H7Br2NO
- Average molar mass
- 328.99 g/mol
- Monoisotopic mass
- 326.88944
Names & identifiers
- Preferred name
- (4,5-Dibromo-1H-pyrrol-2-yl)(phenyl)methanone
- IUPAC
- (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone
- English name
- 2,3-Dibromo-5-benzoylpyrrole
- Molecular formula
- C11H7Br2NO
- Molecular weight
- 328.99
Names & synonyms
50372-61-7(4,5-Dibromo-1H-pyrrol-2-yl)(phenyl)methanoneDTXSID00512870EC 700-338-5RefChem:401828DTXCID60463677700-338-55-BENZOYL-2,3-DIBROMO-1H-PYRROLE(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone4,5-DIBROMO-2-BENZOYLPYRROLEMethanone, (4,5-dibromo-1H-pyrrol-2-yl)phenyl-MFCD00800227
Show more names
4,5-DIBROMO-2-BENZOYLPYRROLE / 50372-61-7(4,5-Dibromo-1H-pyrrol-2-yl)phenylmethanoneMethanone,(4,5-dibroMo-1H-pyrrol-2-yl)phenyl-
C11H7Br2NO(4,5-dibromo-1H-pyrrol-2-yl)-phenyl-methanoneSCHEMBL11003325AKOS015999676AKOS025394711HL-0757SB63291DA-18208
Database identifiers
- CAS
50372-61-7- PubChem CID
- 12915917
- DTXSID
DTXSID00512870- EC Number
- 700-338-5
- Nikkaji
- J481.740K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Density
- 1.845 · 1.845
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 334 · H334-H317
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: (4,5-dibromo-1H-pyrrol-2-yl)(phenyl)methanone (EC: 700-338-5)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H334-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
Uses4,5-Dibromo-2-benzoylpyrrole is used in preparation of 2,3-Dibromo-5-benzoyl Pyrrole via amidation of morpholine with Benzoyl Chloride, followed by Friedel-Crafts reaction with pyrrole and substitution with Br2.
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
广州安信医药有限公司00000 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
南京克罗托鲁宁医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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